3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine

C14H17FN2S — CID 116884759

IUPAC3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C14H17FN2S/c1-10-13(4-3-9-16-2)18-14(17-10)11-5-7-12(15)8-6-11/h5-8,16H,3-4,9H2,1-2H3
InChIKeyWLOSKWLQVPSXAL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.41
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine

3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine (PubChem CID 116884759) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
PubChem CID116884759
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C14H17FN2S/c1-10-13(4-3-9-16-2)18-14(17-10)11-5-7-12(15)8-6-11/h5-8,16H,3-4,9H2,1-2H3
InChIKeyWLOSKWLQVPSXAL-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82088854
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
CID 7503071
3-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884770
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide
CID 7518265
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 7518071
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503085
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20965729
2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine (CID 116884759) is 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine is CNCCCc1sc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is WLOSKWLQVPSXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-10-13(4-3-9-16-2)18-14(17-10)11-5-7-12(15)8-6-11/h5-8,16H,3-4,9H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine?
3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 116884759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).